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88639-75-2 | 2H-Pyran-2-one, 3-[1-(4-chlorophenyl)propyl]-4-hydroxy-6-methyl-
CAS No: 88639-75-2 Catalog No: AG00492C MDL No:
Product Description
Catalog Number:
AG00492C
Chemical Name:
2H-Pyran-2-one, 3-[1-(4-chlorophenyl)propyl]-4-hydroxy-6-methyl-
CAS Number:
88639-75-2
Molecular Formula:
C15H15ClO3
Molecular Weight:
278.7308
IUPAC Name:
3-[1-(4-chlorophenyl)propyl]-4-hydroxy-6-methylpyran-2-one
InChI:
InChI=1S/C15H15ClO3/c1-3-12(10-4-6-11(16)7-5-10)14-13(17)8-9(2)19-15(14)18/h4-8,12,17H,3H2,1-2H3
InChI Key:
MEDWQIOGEUYFJU-UHFFFAOYSA-N
SMILES:
CCC(c1c(O)cc(oc1=O)C)c1ccc(cc1)Cl
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.071g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.732g/mol
Monoisotopic Mass:
278.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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